%chk=000197293.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000197293

0 1
O 5.468252 2.147980 -0.323380
O 3.348415 3.525115 0.477483
N 2.447176 -0.036319 -0.491557
C 3.167382 1.272260 -0.506603
C 2.346674 -0.716508 0.834607
C 0.045216 -1.856543 0.417323
C 1.452233 -1.930649 0.693887
C -0.766661 -0.646142 0.460550
C 4.674152 0.948759 -0.301165
C 2.683943 2.267263 0.591319
C 2.944849 1.909385 -1.886598
C -2.039724 -0.631142 -0.136535
C -0.602231 -3.064814 0.043433
C -2.800088 0.602483 -0.223067
C 2.085938 -3.161320 0.765991
C -2.612125 -1.861561 -0.618332
C -1.945298 -3.036929 -0.479412
C -0.348662 0.538196 1.165411
C -2.303932 1.769741 0.403750
C 0.068993 -4.316866 0.137951
C 1.387638 -4.366406 0.524713
C -1.072155 1.691402 1.141351
C -4.036998 0.686069 -0.928888
C -3.033358 2.990860 0.314842
C -4.728430 1.874302 -1.005884
C -4.221871 3.042014 -0.377744
H 1.980630 -0.060351 1.663901
H 3.376655 -1.024475 1.133345
H 1.513239 0.058592 -0.911169
H 5.042912 0.247798 -1.070290
H 4.886039 0.537273 0.701723
H 1.617501 2.529908 0.460098
H 2.846854 1.869871 1.607802
H 3.358974 1.293824 -2.692778
H 3.401531 2.908643 -1.925476
H 1.879428 2.055065 -2.104519
H 3.152800 -3.217953 0.984801
H -3.607775 -1.831264 -1.065975
H -2.398127 -3.980873 -0.782839
H 0.557704 0.484716 1.778859
H -0.475053 -5.228080 -0.106296
H 1.912027 -5.316046 0.619154
H -0.742749 2.574087 1.690386
H -4.428664 -0.209200 -1.414993
H -2.633363 3.879667 0.801392
H 5.437887 2.554514 -1.218088
H 4.336465 3.390350 0.561529
H -5.670340 1.933789 -1.549456
H -4.785003 3.970917 -0.452657


%chk=000197293-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000197293

0 1
O 5.837467 1.772560 -0.661587
O 4.213244 3.433783 0.835282
N 2.386784 0.237676 -0.283434
C 3.345179 1.374056 -0.359699
C 2.310405 -0.597418 0.937519
C -0.003011 -1.790987 0.386161
C 1.411583 -1.820783 0.726201
C -0.868796 -0.595371 0.351735
C 4.762779 0.752050 -0.554784
C 3.324478 2.273364 0.922193
C 2.967666 2.220726 -1.595633
C -2.197262 -0.674609 -0.202943
C -0.612382 -3.060220 0.028892
C -3.036151 0.521010 -0.310289
C 2.074981 -3.060522 0.809959
C -2.713750 -1.955037 -0.610013
C -1.964572 -3.103631 -0.458641
C -0.467517 0.678423 0.910920
C -2.558600 1.774475 0.219053
C 0.106589 -4.290673 0.130432
C 1.435726 -4.300355 0.545523
C -1.272183 1.804639 0.855630
C -4.329933 0.513484 -0.926327
C -3.366148 2.951604 0.126570
C -5.104776 1.676666 -1.012446
C -4.624190 2.909710 -0.480412
H 2.001799 -0.043340 1.856332
H 3.325735 -0.970571 1.159807
H 1.463692 0.479247 -0.661662
H 4.747117 0.094923 -1.445128
H 5.054034 0.154189 0.325511
H 2.307965 2.683826 1.066205
H 3.585946 1.657321 1.811198
H 3.074238 1.631686 -2.525131
H 3.591239 3.129470 -1.650717
H 1.917112 2.559966 -1.521518
H 3.140772 -3.063907 1.066075
H -3.728420 -2.033131 -1.007412
H -2.386226 -4.079543 -0.726070
H 0.474432 0.757643 1.449263
H -0.407500 -5.222040 -0.133668
H 1.994516 -5.237618 0.634362
H -0.931228 2.741836 1.311427
H -4.732313 -0.408801 -1.354322
H -2.978726 3.889936 0.540877
H 5.832872 2.151234 -1.575707
H 5.091135 3.091054 0.497521
H -6.087890 1.639994 -1.494557
H -5.239014 3.813409 -0.550651


